CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
2013-02-27	compare_hkl: Fix bounds of resolution shells	Thomas White

2013-01-10	Handle '?' return value from getopt_long()	Thomas White

2013-01-10	Document compare_hkl --intensity-shells	Thomas White

2013-01-04	compare_hkl: Add --intensity-shells	Thomas White

2012-11-23	compare_hkl: Actually use --rmin/rmax	Thomas White
	Previously, they were just used to filter out reflections outside the resolution range, and the bins would be calculated from the resolution limits of whatever was left. Now, the given values are used exactly for calculating the bins.
2012-10-12	Add missing newlines	Thomas White

2012-10-05	Fussiness	Thomas White

2012-10-05	compare_hkl: Fix obvious bug	Thomas White

2012-10-05	compare_hkl: Add --shell-file, update documentation	Thomas White

2012-10-05	compare_hkl: Complete rework	Thomas White

2012-10-02	Move unit cell utility stuff to separate module	Thomas White

2012-09-04	Fix widespread bug-hiding problem with command line argument handling	Thomas White

2012-08-08	Fix buglets spotted by new compiler on Fedora 17	Thomas White

2012-07-03	compare_hkl: Use separate denominators when calculating R-factors in shells	Thomas White
	If there are large changes in intensity between shells, the R-factor should reflect it. The old formulation did not have that property. Weak resolution shells would show up with low R-factors because they contributed very little to the overall R-factor, but the actual correspondence between intensities could still be very poor.
2012-07-03	compare_hkl: Improve column header	Thomas White

2012-07-03	compare_hkl: Show resolution shell centre in Angstroms as well	Thomas White

2012-07-02	compare_hkl: Add --sigma-cutoff option	Thomas White

2012-05-30	Formatting	Thomas White

2012-03-12	compare_hkl: Ignore case of --shells argument	Thomas White

2012-03-12	Update copyright notices to show actual contribution years	Thomas White

2012-03-09	Update licence notices in line with recommendations from TT	Thomas White

2012-03-06	Rename old array functions to get them out of the way of API consistency	Thomas White

2012-03-01	More documentation work	Thomas White

2012-02-22	GPLv3 boilerplate comments	Thomas White

2012-02-22	compare_hkl: Put correct column heading in shells.dat	Thomas White

2012-02-22	compare_hkl: Fix Rsplit calculation	Thomas White

2012-02-22	compare_hkl: Take --shells=<FoM> to plot other FoMs in resolution shells	Thomas White

2012-02-22	compare_hkl: Record actual number of (common) reflections used for Rsplit in ↵	Thomas White
	each shell
2012-02-22	Use the right scaling factor for Rsplit	Thomas White

2012-02-22	Simplify compare_hkl and check_hkl, remove second to last use of "list types"	Thomas White

2012-02-22	compare_hkl: Calculate Rsplit in shells, and say what it is	Thomas White

2012-02-22	Add a reminder	Thomas White

2012-02-22	Compiles (with warnings)	Thomas White

2012-02-22	Remove anything which deletes a reflection or optimises a RefList	Thomas White

2012-02-22	Formatting	Thomas White

2012-02-22	Add "-u" (unity scaling) option to compare_hkl	Thomas White

2012-02-22	compare_hkl: Don't crash if scale factor can't be found	Thomas White

2012-02-22	compare_hkl: Fix appalling scaling behaviour	Thomas White

2012-02-22	compare_hkl: Use the correct scaling factor for graph (which shows R1(I))	Thomas White

2012-02-22	compare_hkl: Make sure ratios go in the file	Thomas White

2012-02-22	compare_hkl: Write ratios earlier	Thomas White

2012-02-22	More debugging	Thomas White

2012-02-22	Remove old reflections.h	Thomas White

2012-02-22	Remove all remaining PDB rendering stuff	Thomas White

2012-02-22	Fix previous commit	Thomas White

2012-02-22	compare_hkl: Don't lie	Thomas White

2012-02-22	Tighter symmetry check	Thomas White

2012-02-22	process_hkl: Implement Rick's ESD calculation	Thomas White

2012-02-22	compare_hkl: Remove redundant values	Thomas White

2012-02-22	Move 'characterisation' stuff to a new program, check_hkl	Thomas White